Geometry & MOs

Info

ID:	271617
PubChem CID:	103685906
Reduced:	NOSBr2C13H15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	279.08639
ΔH_f, kcal/mol:	35.46
Dipole, Da:	1.25
IP(EA), eV:	-8.87(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-2-prop-2-ynylsulfanylethanamine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Br)CNCCSCC#C)Br

DOS

IR

Vibrations